4-Nitropyrazole Chemical Properties

Melting point:

160-164°C

Boiling point:

323°C(lit.)

Density 

1.552±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

Crystalline Powder

pka

9.63±0.50(Predicted)

color 

White

λmax

317nm(EtOH)(lit.)

InChI

InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)

InChIKey

XORHNJQEWQGXCN-UHFFFAOYSA-N

SMILES

N1C=C([N+]([O-])=O)C=N1

CAS DataBase Reference

2075-46-9(CAS DataBase Reference)

NIST Chemistry Reference

4-NO2-pyrazole(2075-46-9)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-41

Safety Statements 

26-39

RTECS 

UQ7880000

HazardClass 

IRRITANT

HS Code 

29331990

4-Nitropyrazole Usage And Synthesis

Description

4-Nitropyrazole is a kind of low detonation velocity and high detonation pressure explosive, which has a promising future in the field of energetic materials. 4-Nitropyrazole is also used as raw material to synthesize 4-amino-3,5-dinitropyrazole, a useful intermediate for preparing trinitropyrazole. Currently, 4-nitro pyrazole is prepared by reacting with nitric acid, sulfuric acid, or nitric acid-trifluoroacetic anhydride mixtures. The reaction product contains a small amount of isomers of 4-nitropyrazole and some unknown by-products. To extend the application of 4-nitropyrazole, the crude product must be isolated and purified[1].

Uses

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson''s disease.

References

[1] Yüfang Wu. “Determination and thermodynamic modelling for 4-nitropyrazole solubility in (methanol + water), (ethanol + water) and (acetonitrile + water) binary solvent mixtures from T=(278.15 to 318.15) K.” Journal of Chemical Thermodynamics 103 (2016): Pages 276-284.

4-Nitropyrazole(2075-46-9)Related Product Information

• Pyraclostrobin
• Pyrazole
• Zolpidem tartrate
• 5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
• 4-NITROPYRAZOLE-3-CARBOXYLIC ACID
• NITROGEN DIOXIDE
• Zolpidem
• 1-CHLORO-3,3-DIMETHYLBUTANE
• Cyclopropyl 4-methoxyphenyl ketone
• Cyclopropyl 2-thienyl ketone
• Methyl 1-methylcyclopropyl ketone
• 4-Chlorophenyl cyclopropyl ketone
• 4-tert-Butylphenyl cyclopropyl ketone
• Cyclopropyl 4-fluorophenyl ketone
• (4-BROMOPHENYL)(CYCLOPROPYL)METHANONE
• Cyclopropyl phenyl ketone
• Dicyclopropyl ketone
• 3-nitropyrazole